• Example saccharides
• Example non-saccharides
• RCSB Ligand Expo entries
• Saccharide entries in Ligand Expo
• Saccharide fingerprints

Submission ID: 7E9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.98
• Compound probability: 0.76

List of identified carbohydrate fragments:

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 91.0856
  Fragment main chain atoms: [14, 16, 15]
  Fragment all atoms: [14, 47, 48, 18, 52, 16, 51, 21, 15, 49, 50, 19, 53]
  

• C₆H₁₁O₄
  Fragment probability: 0.79
  Fragment mass: 117.1228
  Fragment main chain atoms: [14, 16, 21, 17]
  Fragment all atoms: [14, 47, 48, 18, 52, 16, 51, 15, 49, 50, 19, 53, 21, 17, 13, 45, 46, 12, 43, 44, 20]
  

• C₆H₁₀
  Fragment probability: 0.42
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [7, 8]
  Fragment all atoms: [7, 35, 6, 33, 34, 5, 31, 32, 8, 36, 9, 37, 38, 10, 39, 40]
  

Most similar ligands:

Citation:

• Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y

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